MolNFT v1 · #118860 · protein
Crystal structure of PVX_084705 in presence of compound 2
5FET · Cgmp-dependent protein kinase, putative: “Crystal structure of PVX_084705 in presence of compound 2”. X-ray diffraction, 1 ligand (1TR), 10 pockets (best druggability 0.75). MolNFT v1 #118860 on GenesisL1: 3D structure, binding…
- PDB
- 5FET
- Type
- protein
- Length
- 802 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase, putative
- UniProt
- A5K0N4
- Ligands
- 1TR
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgmp-dependent protein kinase, putative | protein | 802 | 35% helix, 26% strand | A5K0N4 |
Ligands and binding sites
- 1TR · 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 834 | 0.75 | 0.79 | 62 | empty |
| 2 | 374 | 0.67 | 0.80 | 44 | 1TR |
| 3 | 214 | 0.53 | 0.77 | 31 | empty |
| 4 | 126 | 0.53 | 0.81 | 19 | empty |
| 5 | 248 | 0.52 | 0.76 | 28 | empty |
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A5K0N4
- Elsewhere: RCSB PDB 5FET · PDBe 5FET · UniProt A5K0N4
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